Compound Identification
SMILES
O.O.O.O.O.[Ca++].NC1=NC(=O)C2=C(NCC(CNC3=CC=C(C=C3)C(=O)N[C@@H](CCC([O-])=O)C([O-])=O)N2C=O)N1
InChIKey
InChIKey=NPPBLUASYYNAIG-ZIGBGYJWSA-L
Formula
C20H31CaN7O12
Mass
601.583
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Pteridines and derivatives
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Subclass
Pterins and derivatives
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Level 5
Tetrahydropteroic acids and derivatives
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Level 6
Tetrahydrofolic acids and derivatives
- Level 7 Tetrahydrofolic acids
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Level 6
Tetrahydrofolic acids and derivatives
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Level 5
Tetrahydropteroic acids and derivatives
-
Subclass
Pterins and derivatives
-
Class
Pteridines and derivatives
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pteridines and derivatives
Subclass
Pterins and derivatives
Intermediate Tree Nodes
Tetrahydropteroic acids and derivatives - Tetrahydrofolic acids and derivatives
Direct Parent
Tetrahydrofolic acids
Alternative Parents
Glutamic acid and derivatives Hippuric acids N-acyl-alpha amino acids Aminobenzamides Benzoyl derivatives Aniline and substituted anilines Phenylalkylamines Secondary alkylarylamines Pyrimidones Aminopyrimidines and derivatives Dicarboxylic acids and derivatives Vinylogous amides Heteroaromatic compounds Tertiary carboxylic acid amides Secondary carboxylic acid amides Carboxylic acid salts Amino acids Organic calcium salts Azacyclic compounds Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Organic oxides Organic zwitterions Organopnictogen compounds Primary amines
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Tetrahydrofolic acid - Glutamic acid or derivatives - Hippuric acid or derivatives - Hippuric acid - N-acyl-alpha-amino acid - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Aminobenzamide - Aminobenzoic acid or derivatives - Benzoic acid or derivatives - Benzamide - Phenylalkylamine - Benzoyl - Aniline or substituted anilines - Aminopyrimidine - Secondary aliphatic/aromatic amine - Pyrimidone - Benzenoid - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Pyrimidine - Heteroaromatic compound - Vinylogous amide - Tertiary carboxylic acid amide - Carboxylic acid salt - Carboxamide group - Amino acid - Amino acid or derivatives - Secondary carboxylic acid amide - Azacycle - Carboxylic acid derivative - Organic calcium salt - Carboxylic acid - Secondary amine - Organic nitrogen compound - Organonitrogen compound - Carbonyl group - Organooxygen compound - Primary amine - Organic zwitterion - Organic salt - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Amine - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as tetrahydrofolic acids. These are heterocyclic compounds based on the 5,6,7,8-tetrahydropteroic acid skeleton conjugated with at least one L-glutamic acid unit.
External Descriptors
Not available